Macroscopic view of three best configurations of pranlukast docked to GPR17. The picture shows the three potential binding poses (CI, CII and CIII) obtained for the antagonist pranlukast (stick representation) on GPR17 (cartoon representation), by means of docking studies and 6 ns of molecular dynamic simulations. The chance of pranlukast to assume different and energetically comparable configurations, as for CI, CII and CIII, it is probably due to the high flexibility of the molecule yielding its high conformational freedom.
Parravicini et al. BMC Structural Biology 2010 10:8 doi:10.1186/1472-6807-10-8